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	hartrees
Energy at 0K	-216.363831
Energy at 298.15K	-216.371685
HF Energy	-215.934460
Nuclear repulsion energy	130.915562

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3130	3043	38.17
2	A'	3126	3039	30.09
3	A'	3054	2969	2.61
4	A'	3053	2968	29.47
5	A'	1591	1547	9.57
6	A'	1574	1530	4.62
7	A'	1489	1448	10.38
8	A'	1432	1392	20.15
9	A'	1248	1214	11.56
10	A'	1210	1177	21.76
11	A'	991	963	19.79
12	A'	818	796	1.73
13	A'	463	450	2.59
14	A'	351	341	1.40
15	A'	258	251	0.23
16	A"	3125	3038	10.12
17	A"	3120	3033	4.30
18	A"	3051	2966	10.58
19	A"	1571	1527	0.35
20	A"	1563	1520	0.82
21	A"	1473	1432	11.86
22	A"	1440	1400	14.96
23	A"	1173	1140	16.14
24	A"	993	966	1.32
25	A"	962	935	0.07
26	A"	377	366	7.04
27	A"	225	218	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.292	0.255	0.000
F2	-0.903	1.049	0.000
H3	1.152	0.940	0.000
C4	0.292	-0.593	1.282
C5	0.292	-0.593	-1.282
H6	1.205	-1.199	1.336
H7	1.205	-1.199	-1.336
H8	0.237	0.058	2.163
H9	0.237	0.058	-2.163
H10	-0.582	-1.257	1.278
H11	-0.582	-1.257	-1.278

	C1	F2	H3	C4	C5	H6	H7	H8	H9	H10	H11
C1		1.4355	1.0988	1.5369	1.5369	2.1756	2.1756	2.1728	2.1728	2.1645	2.1645
F2	1.4355		2.0583	2.4021	2.4021	3.3597	3.3597	2.6386	2.6386	2.6564	2.6564
H3	1.0988	2.0583		2.1750	2.1750	2.5221	2.5221	2.5088	2.5088	3.0767	3.0767
C4	1.5369	2.4021	2.1750		2.5633	1.0973	2.8378	1.0973	3.5062	1.0979	2.7855
C5	1.5369	2.4021	2.1750	2.5633		2.8378	1.0973	3.5062	1.0973	2.7855	1.0979
H6	2.1756	3.3597	2.5221	1.0973	2.8378		2.6721	1.7895	3.8422	1.7896	3.1677
H7	2.1756	3.3597	2.5221	2.8378	1.0973	2.6721		3.8422	1.7895	3.1677	1.7896
H8	2.1728	2.6386	2.5088	1.0973	3.5062	1.7895	3.8422		4.3263	1.7839	3.7741
H9	2.1728	2.6386	2.5088	3.5062	1.0973	3.8422	1.7895	4.3263		3.7741	1.7839
H10	2.1645	2.6564	3.0767	1.0979	2.7855	1.7896	3.1677	1.7839	3.7741		2.5568
H11	2.1645	2.6564	3.0767	2.7855	1.0979	3.1677	1.7896	3.7741	1.7839	2.5568

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C4	H8	110.029	C1	C4	H10	109.343
C1	C5	H7	110.247	C1	C5	H9	110.029
C1	C5	H11	109.343	F2	C1	H3	107.877
F2	C1	C4	107.781	F2	C1	C5	107.781
H3	C1	C4	110.107	H3	C1	C5	110.107
C4	C1	C5	113.005	H7	C5	H9	109.263
H7	C5	H11	109.222	H8	C4	H10	108.710
H9	C5	H11	108.710

All results from a given calculation for CH₃CHFCH₃ (2-Fluoropropane)

using model chemistry: CCD/3-21G

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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All results from a given calculation for CH3CHFCH3 (2-Fluoropropane)

using model chemistry: CCD/3-21G

States and conformations

All results from a given calculation for CH₃CHFCH₃ (2-Fluoropropane)